final_energy        :real:0:
  0.281399423863656E-002
final_dipole_moment :real:2:3,1
 -0.810861244815442E-008 -0.134886287261037E+000 -0.345637007903576E-008
final_td_charges    :real:2:24,1
  0.103782860759237E+000 -0.235590438157876E-001  0.103782860759238E+000
 -0.553497300911887E-002  0.394097847274555E-002 -0.235590438157873E-001
 -0.553497300911676E-002 -0.108535964574830E-002  0.430417343054934E-003
  0.394097847274522E-002 -0.108535964574796E-002  0.460104530710626E-002
 -0.668673123583774E-002  0.430417343052603E-003  0.460104530710903E-002
 -0.212818032157990E-001  0.107391062174309E+000 -0.668673123583630E-002
 -0.212818032158026E-001  0.107391062174309E+000 -0.815620510993615E-001
 -0.815620510993631E-001 -0.804364016057100E-001 -0.804364016057115E-001
final_ehrenfest_geom:real:2:3,24
  0.944862994289462E+001  0.944807741228801E+001  0.536933124969500E+001
  0.944862994289462E+001  0.117749058813836E+002  0.670978858896807E+001
  0.944862994289462E+001  0.944807741228801E+001  0.268577695470175E+001
  0.944862994289462E+001  0.140978749744665E+002  0.537203437422247E+001
  0.944862994289462E+001  0.164247500203668E+002  0.671239190987526E+001
  0.944862994289462E+001  0.117749058813836E+002  0.134531961542868E+001
  0.944862994289462E+001  0.140978749744665E+002  0.268307383017427E+001
  0.944862994289462E+001  0.187507525101588E+002  0.537204811857947E+001
  0.944862994289462E+001  0.210742837350437E+002  0.671061369630000E+001
  0.944862994289462E+001  0.164247500203668E+002  0.134271629452148E+001
  0.944862994289462E+001  0.187507525101588E+002  0.268306008581728E+001
  0.944862994289462E+001  0.234003047890189E+002  0.537027052639994E+001
  0.944862994289462E+001  0.257271778913271E+002  0.671062812706238E+001
  0.944862994289462E+001  0.210742837350437E+002  0.134449450809675E+001
  0.944862994289462E+001  0.234003047890189E+002  0.268483767799681E+001
  0.944862994289462E+001  0.280501450735125E+002  0.537287497138531E+001
  0.944862994289462E+001  0.303769723686146E+002  0.671333027954341E+001
  0.944862994289462E+001  0.257271778913271E+002  0.134448007733436E+001
  0.944862994289462E+001  0.280501450735125E+002  0.268223323301143E+001
  0.944862994289462E+001  0.303769723686146E+002  0.134177792485334E+001
  0.944862994289462E+001  0.766370520241320E+001  0.639817059094511E+001
  0.944862994289462E+001  0.766370520241320E+001  0.165693761345164E+001
  0.944862994289462E+001  0.321613439117015E+002  0.568449555781928E+001
  0.944862994289462E+001  0.321613439117015E+002  0.237061264657745E+001
final_ehrenfest_velo:real:2:3,24
 -0.233720005637028E-019 -0.275940111115593E-004 -0.370153096086006E-004
 -0.207994628984547E-019  0.477444224237242E-004 -0.138299341421130E-003
 -0.248529518569539E-020 -0.275940111115928E-004  0.370153096085832E-004
  0.298928198894651E-019 -0.680675605862244E-004  0.967448357567619E-004
  0.217533160809687E-019  0.941572022475007E-005 -0.938293343624017E-005
 -0.218587176982062E-019  0.477444224238405E-004  0.138299341421179E-003
  0.341403096029486E-019 -0.680675605863754E-004 -0.967448357567110E-004
 -0.478142454174661E-020  0.438796118016398E-004  0.974335648480454E-004
  0.887530481056800E-020 -0.438724149314589E-004 -0.974365874113820E-004
 -0.183606940952582E-019  0.941572022485083E-005  0.938293343621510E-005
 -0.324445786917291E-019  0.438796118016470E-004 -0.974335648480384E-004
 -0.118128148408865E-019 -0.940813522848658E-005  0.940419414818278E-005
 -0.985814644190535E-020  0.680446898181131E-004 -0.967572983403988E-004
  0.150900817985150E-019 -0.438724149315652E-004  0.974365874112937E-004
  0.142978471705647E-019 -0.940813522844808E-005 -0.940419414812476E-005
 -0.788399973211726E-020 -0.477630590819287E-004  0.138306446833123E-003
  0.188801750895478E-019  0.276110741687831E-004  0.370254358128423E-004
  0.430581508692914E-021  0.680446898181405E-004  0.967572983403281E-004
 -0.120484568620628E-019 -0.477630590818534E-004 -0.138306446833107E-003
 -0.443799553484760E-020  0.276110741687573E-004 -0.370254358128147E-004
  0.606423796612852E-019 -0.536434206868366E-004 -0.892867944947672E-004
  0.219968625167255E-018 -0.536434206865909E-004  0.892867944947142E-004
  0.446261788212879E-019  0.537585463383683E-004  0.893123973071261E-004
 -0.612444045989550E-020  0.537585463381658E-004 -0.893123973071534E-004
final_ehrenfest_forc:real:2:3,24
  0.105677306156844E-016 -0.151507761967140E-001 -0.203964318259422E-001
 -0.118657295164299E-015  0.251672102134879E-001 -0.724466675488028E-001
 -0.476870477358771E-016 -0.151507761978308E-001  0.203964318255428E-001
  0.245279104309410E-016 -0.361562011433230E-001  0.504076328532458E-001
  0.240840127847397E-016  0.489932088269146E-002 -0.397363453675626E-002
  0.995236455547838E-016  0.251672102137806E-001  0.724466675485789E-001
  0.249236716453814E-016 -0.361562011431880E-001 -0.504076328527400E-001
 -0.520438285166617E-016  0.234182327460586E-001  0.508699756734354E-001
 -0.830787602159695E-016 -0.234083034913783E-001 -0.507844097502237E-001
 -0.159221631671187E-015  0.489932088305422E-002  0.397363453699310E-002
  0.157631755711420E-015  0.234182327465189E-001 -0.508699756734716E-001
  0.303942907968204E-016 -0.488116956714825E-002  0.398920597533833E-002
  0.125661735474249E-015  0.361262479264733E-001 -0.504861879682053E-001
  0.985881430534851E-017 -0.234083034917592E-001  0.507844097500461E-001
  0.844505560075572E-016 -0.488116956696305E-002 -0.398920597613885E-002
 -0.531212224206324E-016 -0.251708081664787E-001  0.722403320348313E-001
 -0.872913849974905E-016  0.151765893319473E-001  0.205202447601589E-001
 -0.138448243964606E-015  0.361262479273209E-001  0.504861879680767E-001
  0.117121807488177E-015 -0.251708081667660E-001 -0.722403320333930E-001
  0.433805232851842E-016  0.151765893316287E-001 -0.205202447612926E-001
 -0.412918640130496E-016 -0.242325668636251E-002 -0.397540371032339E-002
  0.456841897165056E-016 -0.242325668589008E-002  0.397540371063033E-002
 -0.121154133357098E-016  0.240291415047131E-002  0.395935385986029E-002
 -0.485395178130912E-017  0.240291415047562E-002 -0.395935385944821E-002
cell_volume         :real:0:
  0.287653094372994E+006
orbital_charges     :real:2:4,24
  0.124622242011409E+001  0.943864048881662E+000  0.901423207918325E+000
  0.101425493886979E+001  0.117965642320185E+001  0.912446159974871E+000
  0.896825704171949E+000  0.988485947398220E+000  0.124622242011409E+001
  0.943864048881661E+000  0.901423207918323E+000  0.101425493886979E+001
  0.118203172611820E+001  0.917314809141821E+000  0.899785098275835E+000
  0.994800237473366E+000  0.118235938009244E+001  0.918507042990312E+000
  0.900463302895078E+000  0.100289261194684E+001  0.117965642320184E+001
  0.912446159974869E+000  0.896825704171950E+000  0.988485947398219E+000
  0.118203172611820E+001  0.917314809141822E+000  0.899785098275836E+000
  0.994800237473365E+000  0.118194034958205E+001  0.917917688527139E+000
  0.900261771397804E+000  0.999566296063886E+000  0.118194279791542E+001
  0.917916631406911E+000  0.900261770664881E+000  0.999566467722420E+000
  0.118235938009244E+001  0.918507042990315E+000  0.900463302895077E+000
  0.100289261194684E+001  0.118194034958205E+001  0.917917688527139E+000
  0.900261771397803E+000  0.999566296063883E+000  0.118236143234663E+001
  0.918505871332998E+000  0.900463259055295E+000  0.100289242932122E+001
  0.118203109737695E+001  0.917314772478206E+000  0.899785030568209E+000
  0.994800108023597E+000  0.118194279791543E+001  0.917916631406911E+000
  0.900261770664882E+000  0.999566467722423E+000  0.118236143234663E+001
  0.918505871333000E+000  0.900463259055296E+000  0.100289242932122E+001
  0.117965595889865E+001  0.912446371772614E+000  0.896825706597415E+000
  0.988486184517004E+000  0.124622248684152E+001  0.943863907190858E+000
  0.901423134000615E+000  0.101425477866365E+001  0.118203109737695E+001
  0.917314772478204E+000  0.899785030568210E+000  0.994800108023596E+000
  0.117965595889865E+001  0.912446371772613E+000  0.896825706597414E+000
  0.988486184517001E+000  0.124622248684152E+001  0.943863907190859E+000
  0.901423134000614E+000  0.101425477866365E+001  0.918980138235373E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.918980138235372E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.918980500034046E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.918980500034047E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,24
 -0.124329616794605E-016 -0.150500129517323E-001 -0.201533489719477E-001
 -0.638215930611970E-016  0.265923196234280E-001 -0.771260530199179E-001
  0.683832641945193E-016 -0.150500129525675E-001  0.201533489727318E-001
  0.196692630505243E-016 -0.377237110869861E-001  0.540719859175540E-001
 -0.164409475583704E-015  0.525841027107994E-002 -0.563871794604996E-002
  0.674822892894464E-016  0.265923196246670E-001  0.771260530193236E-001
 -0.544551725013286E-016 -0.377237110866175E-001 -0.540719859177111E-001
 -0.163994340784133E-017  0.243077358639442E-001  0.544652419352073E-001
  0.706615187632957E-016 -0.243009453981732E-001 -0.544655058032079E-001
  0.886396410465587E-016  0.525841027011498E-002  0.563871794602595E-002
  0.735342567967724E-016  0.243077358641242E-001 -0.544652419352129E-001
 -0.241889552154985E-016 -0.526530164275553E-002  0.563913447062271E-002
  0.486514446316655E-016  0.377229019416033E-001 -0.540716651621876E-001
 -0.137668956240415E-016 -0.243009453979164E-001  0.544655058029542E-001
 -0.447701525986289E-016 -0.526530164245510E-002 -0.563913447043439E-002
  0.291545678967093E-016 -0.265933653992813E-001  0.771234878967597E-001
 -0.200809925968584E-016  0.150529645413726E-001  0.201549099887367E-001
 -0.298448700425116E-016  0.377229019414073E-001  0.540716651622420E-001
 -0.558671108739856E-016 -0.265933653989128E-001 -0.771234878968311E-001
  0.474311582790553E-016  0.150529645409378E-001 -0.201549099887353E-001
  0.242345498833513E-016 -0.248479440693605E-002 -0.415409863172448E-002
 -0.383152948890405E-016 -0.248479440693924E-002  0.415409863172157E-002
 -0.144518876496369E-016  0.248379864406086E-002  0.415461673700431E-002
  0.203351891835382E-018  0.248379864453281E-002 -0.415461673692348E-002
stress              :real:2:3,3
  0.280253813807624E-012 -0.269094632006872E-027  0.000000000000000E+000
 -0.801713070863681E-021  0.200493564029665E-005 -0.426809973518220E-017
  0.157837378222763E-020 -0.667441663782879E-018  0.253484378914636E-005
mermin_energy       :real:0:
 -0.358584342745013E+002
end_coords          :real:2:3,24
  0.944862994289462E+001  0.944807741228801E+001  0.536933124969500E+001
  0.944862994289462E+001  0.117749058813836E+002  0.670978858896807E+001
  0.944862994289462E+001  0.944807741228801E+001  0.268577695470175E+001
  0.944862994289462E+001  0.140978749744665E+002  0.537203437422247E+001
  0.944862994289462E+001  0.164247500203668E+002  0.671239190987526E+001
  0.944862994289462E+001  0.117749058813836E+002  0.134531961542868E+001
  0.944862994289462E+001  0.140978749744665E+002  0.268307383017427E+001
  0.944862994289462E+001  0.187507525101588E+002  0.537204811857947E+001
  0.944862994289462E+001  0.210742837350437E+002  0.671061369630000E+001
  0.944862994289462E+001  0.164247500203668E+002  0.134271629452148E+001
  0.944862994289462E+001  0.187507525101588E+002  0.268306008581728E+001
  0.944862994289462E+001  0.234003047890189E+002  0.537027052639994E+001
  0.944862994289462E+001  0.257271778913271E+002  0.671062812706238E+001
  0.944862994289462E+001  0.210742837350437E+002  0.134449450809675E+001
  0.944862994289462E+001  0.234003047890189E+002  0.268483767799681E+001
  0.944862994289462E+001  0.280501450735125E+002  0.537287497138531E+001
  0.944862994289462E+001  0.303769723686146E+002  0.671333027954341E+001
  0.944862994289462E+001  0.257271778913271E+002  0.134448007733436E+001
  0.944862994289462E+001  0.280501450735125E+002  0.268223323301143E+001
  0.944862994289462E+001  0.303769723686146E+002  0.134177792485334E+001
  0.944862994289462E+001  0.766370520241320E+001  0.639817059094511E+001
  0.944862994289462E+001  0.766370520241320E+001  0.165693761345164E+001
  0.944862994289462E+001  0.321613439117015E+002  0.568449555781928E+001
  0.944862994289462E+001  0.321613439117015E+002  0.237061264657745E+001
